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Information card for entry 7124945
Preview
| Coordinates | 7124945.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H39 Co N6 O4 |
|---|---|
| Calculated formula | C25 H39 Co N6 O4 |
| Title of publication | Electrocatalytic water oxidation by a molecular cobalt complex through a high valent cobalt oxo intermediate. |
| Authors of publication | Das, Debasree; Pattanayak, Santanu; Singh, Kundan K.; Garai, Bikash; Sen Gupta, Sayam |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 79 |
| Pages of publication | 11787 - 11790 |
| a | 14.5396 ± 0.0011 Å |
| b | 9.6307 ± 0.0006 Å |
| c | 20.8295 ± 0.0015 Å |
| α | 90° |
| β | 109.316 ± 0.008° |
| γ | 90° |
| Cell volume | 2752.5 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1221 |
| Residual factor for significantly intense reflections | 0.0773 |
| Weighted residual factors for significantly intense reflections | 0.2107 |
| Weighted residual factors for all reflections included in the refinement | 0.2855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234372 (current) | 2019-11-23 | cif/ Adding structures of 7124945 via cif-deposit CGI script. |
7124945.cif |
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Users of the data should acknowledge the original authors of the
structural data.